Covid19Pdb5RFE

Content:

• See also
• Deposited
• (Re-)refinement

See also:

• RCSB
• PDBe
• PDBj

• PDB-REDO

• PDBpeep

Deposited

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.01 %   
Rotamer outliers      =   0.00 %   
C-beta deviations     =     0   
Clashscore            =   4.14   
RMS(bonds)            =   0.0129   
RMS(angles)           =   1.78   
MolProbity score      =   1.20   
Resolution            =   1.46   
R-work                =   0.1770   
R-free                =   0.2140   

Additional analysis:

Number of waters      =   340

<B> (all atoms) =   22.59 ( sd =    8.70 ) for       2786 non-hydrogen atoms
<B>   (protein) =   20.97 ( sd =    7.55 ) for       2416 non-hydrogen atoms
<B>     (water) =   33.30 ( sd =    9.25 ) for        340 non-hydrogen atoms
<B>    (others) =   34.73 ( sd =   10.36 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.21 /   66.86
B min/max   (protein non-hydrogen atoms) =   11.21 /   66.86
B min/max     (water non-hydrogen atoms) =   13.57 /   66.82
B min/max     (other non-hydrogen atoms) =   22.99 /   43.71

BUSTER (re-)refinement

Molprobity (CCP4 7.0 version) summary:

Ramachandran outliers =   0.33 %   
              favored =  98.34 %   
Rotamer outliers      =   1.11 %   
C-beta deviations     =     0   
Clashscore            =   2.28   
RMS(bonds)            =   0.0115   
RMS(angles)           =   1.55   
MolProbity score      =   1.04   
Resolution            =   1.46   
R-work                =   0.1809   
R-free                =   0.2154   

Additional analysis:

Number of waters      =   331

<B> (all atoms) =   23.84 ( sd =    8.54 ) for       2777 non-hydrogen atoms
<B>   (protein) =   22.12 ( sd =    6.82 ) for       2416 non-hydrogen atoms
<B>     (water) =   35.60 ( sd =   10.57 ) for        331 non-hydrogen atoms
<B>    (others) =   35.14 ( sd =   10.45 ) for         30 non-hydrogen atoms

B min/max       (all non-hydrogen atoms) =   11.23 /   65.77
B min/max   (protein non-hydrogen atoms) =   11.23 /   60.30
B min/max     (water non-hydrogen atoms) =   11.87 /   65.77
B min/max     (other non-hydrogen atoms) =   25.38 /   41.07

Refinement progression:

Results: